CodeOS9
Name8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SynonymsLMD-009
Identifier
FormulaC29 H33 N3 O3
Molecular Weight471.591
SMILES
PubChem91032188
Formal Charge0
Total Atoms68
Total Chiral Atoms0
Total Bonds72
Total Aromatic Bonds18
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8KFX A Protein Chemokine CCR8 Homo Sapiens LMD-009 - Gi1/Beta1/Gamma2 2.96 2024-02-07 doi.org/10.1126/sciadv.adj7500

A 2D representation of the interactions of OS9 in 8KFX
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
L:L:?1 R:R:Y42 4.13 4 Yes Yes 0 7 0 1
L:L:?1 R:R:Q91 28.11 4 Yes No 0 6 0 1
L:L:?1 R:R:V109 7.86 4 Yes No 0 5 0 1
L:L:?1 R:R:Y113 15.13 4 Yes Yes 0 6 0 1
L:L:?1 R:R:Y114 3.44 4 Yes Yes 0 5 0 1
L:L:?1 R:R:Y172 8.94 4 Yes Yes 0 4 0 1
L:L:?1 R:R:F254 11.43 4 Yes Yes 0 7 0 1
L:L:?1 R:R:V257 4.37 4 Yes Yes 0 5 0 1
L:L:?1 R:R:L258 5.68 4 Yes No 0 5 0 1
L:L:?1 R:R:T282 6.92 4 Yes No 0 4 0 1
L:L:?1 R:R:T285 3.46 4 Yes Yes 0 6 0 1
L:L:?1 R:R:E286 24.87 4 Yes No 0 5 0 1
R:R:L38 R:R:Y42 5.86 0 No Yes 6 7 2 1
R:R:T92 R:R:Y42 3.75 0 No Yes 7 7 2 1
R:R:I287 R:R:Y42 3.63 4 No Yes 5 7 2 1
R:R:F290 R:R:Y42 7.22 4 Yes Yes 7 7 2 1
R:R:F84 R:R:Y113 15.47 4 Yes Yes 6 6 2 1
R:R:F290 R:R:F84 6.43 4 Yes Yes 7 6 2 2
R:R:F90 R:R:V109 5.24 0 No No 6 5 2 1
R:R:Q91 R:R:Y94 7.89 0 No No 6 5 1 2
R:R:L95 R:R:Q91 3.99 0 No No 5 6 2 1
R:R:S110 R:R:Y172 13.99 0 No Yes 5 4 2 1
R:R:Y113 R:R:Y114 5.96 4 Yes Yes 6 5 1 1
R:R:E286 R:R:Y113 5.61 4 No Yes 5 6 1 1
R:R:L168 R:R:Y114 17.58 0 No Yes 4 5 2 1
R:R:Y114 R:R:Y172 7.94 4 Yes Yes 5 4 1 1
R:R:M202 R:R:Y114 5.99 4 No Yes 5 5 2 1
R:R:F117 R:R:M202 6.22 4 Yes No 8 5 2 2
R:R:F117 R:R:F254 3.22 4 Yes Yes 8 7 2 1
R:R:S185 R:R:Y172 7.63 0 No Yes 4 4 2 1
R:R:L258 R:R:N199 6.87 0 No No 5 5 1 2
R:R:F254 R:R:W251 6.01 4 Yes Yes 7 9 1 2
R:R:S289 R:R:W251 6.18 4 No Yes 8 9 2 2
R:R:P253 R:R:T285 3.5 0 No Yes 9 6 2 1
R:R:F254 R:R:N255 3.62 4 Yes No 7 8 1 2
R:R:F254 R:R:S289 14.53 4 Yes No 7 8 1 2
R:R:A281 R:R:V257 3.39 0 No Yes 5 5 2 1
R:R:T282 R:R:V257 3.17 4 No Yes 4 5 1 1
R:R:T285 R:R:V257 6.35 4 Yes Yes 6 5 1 1
R:R:E286 R:R:F290 9.33 4 No Yes 5 7 1 2
R:R:F290 R:R:I287 6.28 4 Yes No 7 5 2 2
R:R:T165 R:R:Y114 2.5 0 No Yes 7 5 2 1
R:R:T261 R:R:V257 1.59 0 No Yes 4 5 2 1
R:R:T285 R:R:V284 1.59 4 Yes No 6 6 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.36
Average Nodes In Shell35.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.50
Average Interaction Strength11.05
Average Nodes In Shell31.00
Average Hubs In Shell10.50
Average Links In Shell37.50
Average Links Mediated by Hubs In Shell33.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)